2,3-Dimethyl-1,4-naphthoquinone
TL;DR: 2,3-Dimethyl-1,4-naphthoquinone (CAS 2197-57-1) is a chemical compound with molecular formula C12H10O2 and molecular weight 186.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethylnaphthalene-1,4-dione
Also Known As: 2,3-Dimethyl-1,4-naphthoquinone, 2,3-Dimethylnaphthoquinone, 2,3-dimethylnaphthalene-1,4-dione, 2,4-naphthoquinone, Vitamin K2 Impurity 11
| Molecular Formula | C12H10O2 |
|---|---|
| Molecular Weight | 186.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.06808 |
| Heavy Atoms | 14 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 2197-57-1 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)C |
| InChIKey | LGFDNUSAWCHVJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dimethyl-1,4-naphthoquinone (CAS 2197-57-1), with molecular formula C12H10O2 and molecular weight 186.07 g/mol. IUPAC: 2,3-dimethylnaphthalene-1,4-dione.
Chemical Property Profile of 2,3-Dimethyl-1,4-naphthoquinone
Property Insights of 2,3-Dimethyl-1,4-naphthoquinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dimethyl-1,4-naphthoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2,3-Dimethyl-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethyl-1,4-naphthoquinone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Dimethyl-1,4-naphthoquinone?
The CAS number of 2,3-Dimethyl-1,4-naphthoquinone is 2197-57-1.
What is the molecular formula of 2,3-Dimethyl-1,4-naphthoquinone?
The molecular formula of 2,3-Dimethyl-1,4-naphthoquinone is C12H10O2.
What is the molecular weight of 2,3-Dimethyl-1,4-naphthoquinone?
The molecular weight of 2,3-Dimethyl-1,4-naphthoquinone is 186.07 g/mol.
Where can I buy 2,3-Dimethyl-1,4-naphthoquinone?
You can request a quote for 2,3-Dimethyl-1,4-naphthoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethyl-1,4-naphthoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethyl-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.